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CHEBI:138291 - (5S,15S)-dihydroperoxy-(6E,8Z,11Z,13E)-icosatetraenoic acid

Default Structure
ChEBI IDCHEBI:138291
ChEBI Name(5S,15S)-dihydroperoxy-(6E,8Z,11Z,13E)-icosatetraenoic acid
Stars
ASCII Name(5S,15S)-dihydroperoxy-(6E,8Z,11Z,13E)-icosatetraenoic acid
DefinitionA bis(hydroperoxy)icosatetraenoic acid that is (6E,8Z,11Z,13E)-icosatetraenoic acid in which the two hydroperoxy groups are located at positions 5S and 15S.
Last Modified23 August 2017
SubmitterSteve
DownloadsMolfile
FormulaC20H32O6
Net Charge0
Average Mass368.470
Monoisotopic Mass368.21989
SMILESCCCCC[C@@H](/C=C/C=C\C/C=C\C=C\[C@H](CCCC(=O)O)OO)OO
InChIInChI=1S/C20H32O6/c1-2-3-9-13-18(25-23)14-10-7-5-4-6-8-11-15-19(26-24)16-12-17-20(21)22/h5-8,10-11,14-15,18-19,23-24H,2-4,9,12-13,16-17H2,1H3,(H,21,22)/b7-5-,8-6-,14-10+,15-11+/t18-,19+/m0/s1
InChIKeyPCIOUQYHTPPZEM-BVHTXILBSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) blood (UBERON:0000178) PubMed (6806263)
Rattus norvegicus (ncbitaxon:10116) - PubMed (6806263)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Roles:
rat metabolite  Any mammalian metabolite produced during a metabolic reaction in rat (Rattus norvegicus).
human blood serum metabolite  Any metabolite (endogenous or exogenous) found in human blood serum samples.
human xenobiotic metabolite  Any human metabolite produced by metabolism of a xenobiotic compound in humans.
ChEBI Ontology
Outgoing Relation(s)
(5S,15S)-dihydroperoxy-(6E,8Z,11Z,13E)-icosatetraenoic acid (CHEBI:138291) has role human blood serum metabolite (CHEBI:85234)
(5S,15S)-dihydroperoxy-(6E,8Z,11Z,13E)-icosatetraenoic acid (CHEBI:138291) has role human xenobiotic metabolite (CHEBI:76967)
(5S,15S)-dihydroperoxy-(6E,8Z,11Z,13E)-icosatetraenoic acid (CHEBI:138291) has role rat metabolite (CHEBI:86264)
(5S,15S)-dihydroperoxy-(6E,8Z,11Z,13E)-icosatetraenoic acid (CHEBI:138291) is a bis(hydroperoxy)icosatetraenoic acid (CHEBI:138293)
(5S,15S)-dihydroperoxy-(6E,8Z,11Z,13E)-icosatetraenoic acid (CHEBI:138291) is conjugate acid of (5S,15S)-dihydroperoxy-(6E,8Z,11Z,13E)-icosatetraenoate (CHEBI:137543)
Incoming Relation(s)
(5S,15S)-dihydroperoxy-(6E,8Z,11Z,13E)-icosatetraenoate (CHEBI:137543) is conjugate base of (5S,15S)-dihydroperoxy-(6E,8Z,11Z,13E)-icosatetraenoic acid (CHEBI:138291)
IUPAC Name 
(5S,6E,8Z,11Z,13E,15S)-5,15-bis(hydroperoxy)icosa-6,8,11,13-tetraenoic acid
Synonyms  Source
(5S,15S)-diHPETEChEBI
5(S),15(S)-diHPETEChEBI
(5S,15S)-dihydroperoxy-(6E,8Z,11Z,13E)-eicosatetraenoic acidChEBI
5(S),15(S)-dihydroxy-6,13-trans-8,11-cis-eicosatetraenoic acidChEBI
5(S),15(S)-dihydroxy-6,13-trans-8,11-cis-icosatetraenoic acidChEBI
(5S,6E,8Z,11Z,13E,15S)-5,15-bis(hydroperoxy)eicosatetraenoic acidChEBI
Citations